USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 MET CE :methyl 163:sc= -2.1 (180deg=-1.91!) USER MOD Set 1.2: B 34 HIS : no HD1:sc= -0.214 K(o=-2.3,f=-3.6) USER MOD Set 2.1: A 34 HIS : no HD1:sc= 0 X(o=-1,f=-1) USER MOD Set 2.2: B 39 MET CE :methyl 149:sc= -1.02 (180deg=-1.46!) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0.00214 USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0.195 USER MOD Single : A 17 MET CE :methyl -154:sc= 0 (180deg=-1.26) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0.97 (180deg=0.86) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.677 K(o=-0.68,f=-8.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.785 K(o=0.78,f=0) USER MOD Single : A 48 SER OG : rot -109:sc= 1.29 USER MOD Single : B 10 SER OG : rot 180:sc= 0.0707 USER MOD Single : B 11 SER OG : rot 91:sc= 1.31 USER MOD Single : B 17 MET CE :methyl -157:sc= -0.128 (180deg=-0.217) USER MOD Single : B 18 SER OG : rot 77:sc= 0.554 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0.00464 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 174:sc= 1.47 (180deg=1.39) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 36 ASN : amide:sc= 0.129 K(o=0.13,f=-8.5!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0.769 K(o=0.77,f=0) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -17.077 7.149 3.327 1.00 0.00 N ATOM 84 CA LEU A 9 -16.207 6.072 2.861 1.00 0.00 C ATOM 85 C LEU A 9 -16.774 4.710 3.283 1.00 0.00 C ATOM 86 O LEU A 9 -16.227 3.692 2.869 1.00 0.00 O ATOM 87 CB LEU A 9 -14.778 6.252 3.428 1.00 0.00 C ATOM 88 CG LEU A 9 -13.763 6.872 2.449 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.845 8.398 2.351 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.347 6.520 2.914 1.00 0.00 C ATOM 0 HA LEU A 9 -16.160 6.111 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.833 6.880 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.405 5.279 3.747 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.001 6.463 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.099 8.758 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.839 8.688 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.656 8.836 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.620 6.954 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.183 6.918 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.228 5.437 2.930 1.00 0.00 H new ATOM 102 N SER A 10 -17.816 4.639 4.120 1.00 0.00 N ATOM 103 CA SER A 10 -18.412 3.374 4.556 1.00 0.00 C ATOM 104 C SER A 10 -18.884 2.584 3.339 1.00 0.00 C ATOM 105 O SER A 10 -18.554 1.415 3.147 1.00 0.00 O ATOM 106 CB SER A 10 -19.576 3.692 5.510 1.00 0.00 C ATOM 107 OG SER A 10 -20.458 4.663 4.951 1.00 0.00 O ATOM 0 H SER A 10 -18.270 5.462 4.515 1.00 0.00 H new ATOM 0 HA SER A 10 -17.681 2.761 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.129 2.779 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.182 4.059 6.457 1.00 0.00 H new ATOM 0 HG SER A 10 -21.188 4.842 5.580 1.00 0.00 H new ATOM 113 N SER A 11 -19.593 3.297 2.479 1.00 0.00 N ATOM 114 CA SER A 11 -20.194 2.893 1.235 1.00 0.00 C ATOM 115 C SER A 11 -19.149 2.348 0.256 1.00 0.00 C ATOM 116 O SER A 11 -19.477 1.538 -0.610 1.00 0.00 O ATOM 117 CB SER A 11 -20.890 4.147 0.676 1.00 0.00 C ATOM 118 OG SER A 11 -21.242 5.083 1.695 1.00 0.00 O ATOM 0 H SER A 11 -19.777 4.283 2.665 1.00 0.00 H new ATOM 0 HA SER A 11 -20.905 2.081 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.232 4.632 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.789 3.848 0.137 1.00 0.00 H new ATOM 0 HG SER A 11 -21.679 5.860 1.288 1.00 0.00 H new ATOM 124 N GLU A 12 -17.888 2.759 0.406 1.00 0.00 N ATOM 125 CA GLU A 12 -16.782 2.351 -0.440 1.00 0.00 C ATOM 126 C GLU A 12 -16.203 1.017 0.036 1.00 0.00 C ATOM 127 O GLU A 12 -15.705 0.250 -0.790 1.00 0.00 O ATOM 128 CB GLU A 12 -15.716 3.453 -0.474 1.00 0.00 C ATOM 129 CG GLU A 12 -16.072 4.726 -1.264 1.00 0.00 C ATOM 130 CD GLU A 12 -17.534 5.160 -1.162 1.00 0.00 C ATOM 131 OE1 GLU A 12 -17.883 5.862 -0.190 1.00 0.00 O ATOM 132 OE2 GLU A 12 -18.328 4.791 -2.059 1.00 0.00 O ATOM 0 H GLU A 12 -17.608 3.405 1.144 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.145 2.202 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.489 3.740 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.803 3.033 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.441 5.542 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.829 4.564 -2.314 1.00 0.00 H new ATOM 139 N ILE A 13 -16.275 0.715 1.341 1.00 0.00 N ATOM 140 CA ILE A 13 -15.772 -0.544 1.891 1.00 0.00 C ATOM 141 C ILE A 13 -16.637 -1.643 1.280 1.00 0.00 C ATOM 142 O ILE A 13 -16.134 -2.587 0.672 1.00 0.00 O ATOM 143 CB ILE A 13 -15.851 -0.587 3.442 1.00 0.00 C ATOM 144 CG1 ILE A 13 -15.065 0.572 4.079 1.00 0.00 C ATOM 145 CG2 ILE A 13 -15.339 -1.929 3.997 1.00 0.00 C ATOM 146 CD1 ILE A 13 -15.055 0.578 5.611 1.00 0.00 C ATOM 0 H ILE A 13 -16.683 1.337 2.039 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.717 -0.668 1.647 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.903 -0.481 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.035 0.532 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.487 1.514 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.409 -1.923 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.945 -2.743 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.300 -2.072 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.477 1.431 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.078 0.652 5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.603 -0.345 5.976 1.00 0.00 H new ATOM 158 N GLU A 14 -17.955 -1.489 1.411 1.00 0.00 N ATOM 159 CA GLU A 14 -18.931 -2.433 0.896 1.00 0.00 C ATOM 160 C GLU A 14 -18.758 -2.578 -0.623 1.00 0.00 C ATOM 161 O GLU A 14 -18.915 -3.680 -1.147 1.00 0.00 O ATOM 162 CB GLU A 14 -20.346 -1.978 1.290 1.00 0.00 C ATOM 163 CG GLU A 14 -20.539 -1.827 2.813 1.00 0.00 C ATOM 164 CD GLU A 14 -20.494 -3.148 3.591 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.361 -4.019 3.367 1.00 0.00 O ATOM 166 OE2 GLU A 14 -19.701 -3.275 4.556 1.00 0.00 O ATOM 0 H GLU A 14 -18.375 -0.690 1.886 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.774 -3.419 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.560 -1.024 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.070 -2.698 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.766 -1.164 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.497 -1.342 2.999 1.00 0.00 H new ATOM 173 N ARG A 15 -18.398 -1.504 -1.346 1.00 0.00 N ATOM 174 CA ARG A 15 -18.194 -1.577 -2.796 1.00 0.00 C ATOM 175 C ARG A 15 -16.972 -2.435 -3.111 1.00 0.00 C ATOM 176 O ARG A 15 -16.978 -3.172 -4.099 1.00 0.00 O ATOM 177 CB ARG A 15 -18.007 -0.174 -3.395 1.00 0.00 C ATOM 178 CG ARG A 15 -19.334 0.558 -3.629 1.00 0.00 C ATOM 179 CD ARG A 15 -19.128 2.062 -3.836 1.00 0.00 C ATOM 180 NE ARG A 15 -18.444 2.363 -5.103 1.00 0.00 N ATOM 181 CZ ARG A 15 -18.236 3.602 -5.564 1.00 0.00 C ATOM 182 NH1 ARG A 15 -18.401 4.662 -4.782 1.00 0.00 N ATOM 183 NH2 ARG A 15 -17.870 3.780 -6.828 1.00 0.00 N ATOM 0 H ARG A 15 -18.243 -0.578 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.080 -2.030 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.383 0.420 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.472 -0.257 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.832 0.136 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.993 0.396 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.095 2.564 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.546 2.464 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.108 1.580 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.691 4.540 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.238 5.599 -5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.749 2.975 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.710 4.722 -7.185 1.00 0.00 H new ATOM 197 N LEU A 16 -15.904 -2.319 -2.319 1.00 0.00 N ATOM 198 CA LEU A 16 -14.688 -3.096 -2.523 1.00 0.00 C ATOM 199 C LEU A 16 -14.942 -4.575 -2.248 1.00 0.00 C ATOM 200 O LEU A 16 -14.357 -5.410 -2.939 1.00 0.00 O ATOM 201 CB LEU A 16 -13.545 -2.563 -1.646 1.00 0.00 C ATOM 202 CG LEU A 16 -12.831 -1.360 -2.283 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.012 -0.625 -1.221 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.910 -1.814 -3.424 1.00 0.00 C ATOM 0 H LEU A 16 -15.861 -1.685 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.388 -2.992 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.942 -2.273 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.823 -3.360 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.585 -0.688 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.507 0.227 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.674 -0.274 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.270 -1.303 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.415 -0.946 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.159 -2.502 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.500 -2.317 -4.190 1.00 0.00 H new ATOM 216 N MET A 17 -15.827 -4.918 -1.303 1.00 0.00 N ATOM 217 CA MET A 17 -16.122 -6.319 -1.004 1.00 0.00 C ATOM 218 C MET A 17 -16.663 -7.042 -2.239 1.00 0.00 C ATOM 219 O MET A 17 -16.360 -8.220 -2.426 1.00 0.00 O ATOM 220 CB MET A 17 -17.133 -6.473 0.134 1.00 0.00 C ATOM 221 CG MET A 17 -16.649 -5.931 1.473 1.00 0.00 C ATOM 222 SD MET A 17 -17.720 -6.442 2.839 1.00 0.00 S ATOM 223 CE MET A 17 -16.964 -5.490 4.171 1.00 0.00 C ATOM 0 H MET A 17 -16.347 -4.247 -0.737 1.00 0.00 H new ATOM 0 HA MET A 17 -15.178 -6.766 -0.693 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.055 -5.961 -0.141 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.377 -7.529 0.248 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.633 -6.279 1.659 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.610 -4.843 1.431 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.151 -5.985 5.124 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.889 -5.420 4.003 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.394 -4.489 4.192 1.00 0.00 H new ATOM 233 N SER A 18 -17.414 -6.349 -3.103 1.00 0.00 N ATOM 234 CA SER A 18 -17.977 -6.930 -4.319 1.00 0.00 C ATOM 235 C SER A 18 -16.884 -7.441 -5.266 1.00 0.00 C ATOM 236 O SER A 18 -17.135 -8.331 -6.074 1.00 0.00 O ATOM 237 CB SER A 18 -18.845 -5.894 -5.042 1.00 0.00 C ATOM 238 OG SER A 18 -19.792 -5.299 -4.172 1.00 0.00 O ATOM 0 H SER A 18 -17.647 -5.364 -2.974 1.00 0.00 H new ATOM 0 HA SER A 18 -18.589 -7.782 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.207 -5.120 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.365 -6.372 -5.872 1.00 0.00 H new ATOM 0 HG SER A 18 -20.325 -4.643 -4.668 1.00 0.00 H new ATOM 244 N GLN A 19 -15.665 -6.895 -5.185 1.00 0.00 N ATOM 245 CA GLN A 19 -14.559 -7.319 -6.032 1.00 0.00 C ATOM 246 C GLN A 19 -13.938 -8.626 -5.529 1.00 0.00 C ATOM 247 O GLN A 19 -13.265 -9.305 -6.303 1.00 0.00 O ATOM 248 CB GLN A 19 -13.456 -6.250 -6.042 1.00 0.00 C ATOM 249 CG GLN A 19 -13.895 -4.831 -6.433 1.00 0.00 C ATOM 250 CD GLN A 19 -14.362 -4.640 -7.878 1.00 0.00 C ATOM 251 OE1 GLN A 19 -14.865 -3.567 -8.211 1.00 0.00 O ATOM 252 NE2 GLN A 19 -14.152 -5.582 -8.789 1.00 0.00 N ATOM 0 H GLN A 19 -15.424 -6.150 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.962 -7.468 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.008 -6.209 -5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.674 -6.570 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.705 -4.528 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.062 -4.152 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.735 -6.472 -8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.407 -5.416 -9.762 1.00 0.00 H new ATOM 261 N GLY A 20 -14.151 -8.974 -4.259 1.00 0.00 N ATOM 262 CA GLY A 20 -13.614 -10.165 -3.616 1.00 0.00 C ATOM 263 C GLY A 20 -12.580 -9.803 -2.548 1.00 0.00 C ATOM 264 O GLY A 20 -12.028 -10.710 -1.917 1.00 0.00 O ATOM 0 H GLY A 20 -14.724 -8.411 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.426 -10.733 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.155 -10.810 -4.366 1.00 0.00 H new ATOM 268 N TYR A 21 -12.295 -8.510 -2.341 1.00 0.00 N ATOM 269 CA TYR A 21 -11.342 -8.050 -1.341 1.00 0.00 C ATOM 270 C TYR A 21 -11.943 -8.295 0.040 1.00 0.00 C ATOM 271 O TYR A 21 -13.080 -7.899 0.321 1.00 0.00 O ATOM 272 CB TYR A 21 -10.998 -6.566 -1.539 1.00 0.00 C ATOM 273 CG TYR A 21 -10.233 -6.270 -2.817 1.00 0.00 C ATOM 274 CD1 TYR A 21 -8.994 -6.898 -3.049 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.757 -5.382 -3.779 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.300 -6.661 -4.246 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.067 -5.146 -4.984 1.00 0.00 C ATOM 278 CZ TYR A 21 -8.836 -5.799 -5.221 1.00 0.00 C ATOM 279 OH TYR A 21 -8.135 -5.610 -6.368 1.00 0.00 O ATOM 0 H TYR A 21 -12.727 -7.753 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.409 -8.604 -1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.922 -5.987 -1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.408 -6.225 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.578 -7.562 -2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.694 -4.879 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.349 -7.143 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.476 -4.471 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.623 -4.992 -6.951 1.00 0.00 H new ATOM 289 N SER A 22 -11.193 -8.975 0.901 1.00 0.00 N ATOM 290 CA SER A 22 -11.633 -9.285 2.249 1.00 0.00 C ATOM 291 C SER A 22 -11.753 -8.005 3.085 1.00 0.00 C ATOM 292 O SER A 22 -10.964 -7.073 2.921 1.00 0.00 O ATOM 293 CB SER A 22 -10.648 -10.280 2.857 1.00 0.00 C ATOM 294 OG SER A 22 -10.532 -11.431 2.027 1.00 0.00 O ATOM 0 H SER A 22 -10.261 -9.326 0.679 1.00 0.00 H new ATOM 0 HA SER A 22 -12.625 -9.737 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.672 -9.809 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.984 -10.573 3.852 1.00 0.00 H new ATOM 0 HG SER A 22 -9.896 -12.060 2.427 1.00 0.00 H new ATOM 300 N TYR A 23 -12.698 -7.982 4.031 1.00 0.00 N ATOM 301 CA TYR A 23 -12.938 -6.834 4.904 1.00 0.00 C ATOM 302 C TYR A 23 -11.662 -6.399 5.626 1.00 0.00 C ATOM 303 O TYR A 23 -11.388 -5.202 5.699 1.00 0.00 O ATOM 304 CB TYR A 23 -14.054 -7.170 5.902 1.00 0.00 C ATOM 305 CG TYR A 23 -14.334 -6.100 6.949 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.605 -4.766 6.581 1.00 0.00 C ATOM 307 CD2 TYR A 23 -14.329 -6.449 8.311 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.891 -3.799 7.562 1.00 0.00 C ATOM 309 CE2 TYR A 23 -14.608 -5.489 9.297 1.00 0.00 C ATOM 310 CZ TYR A 23 -14.893 -4.157 8.929 1.00 0.00 C ATOM 311 OH TYR A 23 -15.200 -3.237 9.883 1.00 0.00 O ATOM 0 H TYR A 23 -13.322 -8.768 4.212 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.255 -5.992 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.972 -7.359 5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.794 -8.097 6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.593 -4.485 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -14.108 -7.465 8.602 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.109 -2.782 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.604 -5.771 10.340 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.154 -3.655 10.768 1.00 0.00 H new ATOM 321 N GLN A 24 -10.875 -7.359 6.130 1.00 0.00 N ATOM 322 CA GLN A 24 -9.636 -7.057 6.833 1.00 0.00 C ATOM 323 C GLN A 24 -8.668 -6.301 5.926 1.00 0.00 C ATOM 324 O GLN A 24 -8.101 -5.301 6.358 1.00 0.00 O ATOM 325 CB GLN A 24 -8.977 -8.333 7.375 1.00 0.00 C ATOM 326 CG GLN A 24 -9.819 -8.984 8.481 1.00 0.00 C ATOM 327 CD GLN A 24 -9.014 -9.997 9.291 1.00 0.00 C ATOM 328 OE1 GLN A 24 -7.929 -9.702 9.789 1.00 0.00 O ATOM 329 NE2 GLN A 24 -9.478 -11.223 9.430 1.00 0.00 N ATOM 0 H GLN A 24 -11.083 -8.355 6.059 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.885 -6.420 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.836 -9.043 6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.988 -8.094 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.203 -8.211 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.682 -9.479 8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.377 -11.478 9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.938 -11.917 9.947 1.00 0.00 H new ATOM 338 N ASP A 25 -8.501 -6.745 4.678 1.00 0.00 N ATOM 339 CA ASP A 25 -7.611 -6.116 3.705 1.00 0.00 C ATOM 340 C ASP A 25 -8.053 -4.674 3.499 1.00 0.00 C ATOM 341 O ASP A 25 -7.249 -3.752 3.604 1.00 0.00 O ATOM 342 CB ASP A 25 -7.629 -6.826 2.338 1.00 0.00 C ATOM 343 CG ASP A 25 -6.948 -8.187 2.290 1.00 0.00 C ATOM 344 OD1 ASP A 25 -6.896 -8.880 3.326 1.00 0.00 O ATOM 345 OD2 ASP A 25 -6.502 -8.562 1.179 1.00 0.00 O ATOM 0 H ASP A 25 -8.988 -7.563 4.312 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.598 -6.178 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.666 -6.949 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.151 -6.175 1.605 1.00 0.00 H new ATOM 350 N ILE A 26 -9.342 -4.460 3.224 1.00 0.00 N ATOM 351 CA ILE A 26 -9.884 -3.125 2.998 1.00 0.00 C ATOM 352 C ILE A 26 -9.595 -2.243 4.220 1.00 0.00 C ATOM 353 O ILE A 26 -9.127 -1.115 4.065 1.00 0.00 O ATOM 354 CB ILE A 26 -11.387 -3.186 2.645 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.673 -4.062 1.401 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.895 -1.755 2.387 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.129 -4.541 1.343 1.00 0.00 C ATOM 0 H ILE A 26 -10.034 -5.206 3.153 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.392 -2.672 2.137 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.907 -3.643 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.445 -3.493 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.009 -4.927 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.955 -1.785 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.750 -1.151 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.339 -1.315 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.276 -5.151 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.352 -5.134 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.795 -3.679 1.306 1.00 0.00 H new ATOM 369 N GLN A 27 -9.873 -2.740 5.427 1.00 0.00 N ATOM 370 CA GLN A 27 -9.634 -2.006 6.658 1.00 0.00 C ATOM 371 C GLN A 27 -8.154 -1.636 6.766 1.00 0.00 C ATOM 372 O GLN A 27 -7.850 -0.450 6.891 1.00 0.00 O ATOM 373 CB GLN A 27 -10.112 -2.825 7.872 1.00 0.00 C ATOM 374 CG GLN A 27 -11.641 -2.848 8.023 1.00 0.00 C ATOM 375 CD GLN A 27 -12.175 -1.585 8.692 1.00 0.00 C ATOM 376 OE1 GLN A 27 -12.260 -1.501 9.914 1.00 0.00 O ATOM 377 NE2 GLN A 27 -12.551 -0.577 7.923 1.00 0.00 N ATOM 0 H GLN A 27 -10.272 -3.668 5.572 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.208 -1.080 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.747 -3.848 7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.670 -2.411 8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.099 -2.958 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.933 -3.719 8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.477 -0.654 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.915 0.278 8.344 1.00 0.00 H new ATOM 386 N LYS A 28 -7.242 -2.610 6.707 1.00 0.00 N ATOM 387 CA LYS A 28 -5.792 -2.413 6.805 1.00 0.00 C ATOM 388 C LYS A 28 -5.315 -1.372 5.788 1.00 0.00 C ATOM 389 O LYS A 28 -4.561 -0.466 6.148 1.00 0.00 O ATOM 390 CB LYS A 28 -5.078 -3.776 6.641 1.00 0.00 C ATOM 391 CG LYS A 28 -5.335 -4.709 7.847 1.00 0.00 C ATOM 392 CD LYS A 28 -5.161 -6.212 7.559 1.00 0.00 C ATOM 393 CE LYS A 28 -3.712 -6.701 7.444 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.007 -6.795 8.737 1.00 0.00 N ATOM 0 H LYS A 28 -7.500 -3.589 6.586 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.538 -2.019 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.424 -4.260 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.006 -3.613 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.658 -4.429 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.349 -4.539 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.654 -6.775 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.680 -6.448 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.707 -7.681 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.162 -6.025 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.086 -7.257 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.860 -5.840 9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.577 -7.354 9.404 1.00 0.00 H new ATOM 408 N ALA A 29 -5.775 -1.463 4.538 1.00 0.00 N ATOM 409 CA ALA A 29 -5.405 -0.539 3.470 1.00 0.00 C ATOM 410 C ALA A 29 -5.815 0.885 3.837 1.00 0.00 C ATOM 411 O ALA A 29 -5.027 1.805 3.643 1.00 0.00 O ATOM 412 CB ALA A 29 -6.066 -0.935 2.140 1.00 0.00 C ATOM 0 H ALA A 29 -6.423 -2.191 4.238 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.323 -0.587 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.772 -0.229 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.745 -1.938 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.150 -0.919 2.254 1.00 0.00 H new ATOM 418 N LEU A 30 -7.027 1.082 4.364 1.00 0.00 N ATOM 419 CA LEU A 30 -7.538 2.400 4.737 1.00 0.00 C ATOM 420 C LEU A 30 -6.747 3.034 5.871 1.00 0.00 C ATOM 421 O LEU A 30 -6.588 4.257 5.869 1.00 0.00 O ATOM 422 CB LEU A 30 -9.018 2.319 5.133 1.00 0.00 C ATOM 423 CG LEU A 30 -9.953 2.074 3.939 1.00 0.00 C ATOM 424 CD1 LEU A 30 -11.316 1.608 4.452 1.00 0.00 C ATOM 425 CD2 LEU A 30 -10.111 3.340 3.085 1.00 0.00 C ATOM 0 H LEU A 30 -7.685 0.324 4.544 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.426 3.032 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.149 1.517 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.306 3.247 5.627 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.515 1.302 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.982 1.433 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.196 0.683 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.743 2.375 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.778 3.134 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.530 4.140 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.137 3.646 2.705 1.00 0.00 H new ATOM 437 N VAL A 31 -6.273 2.243 6.839 1.00 0.00 N ATOM 438 CA VAL A 31 -5.495 2.788 7.944 1.00 0.00 C ATOM 439 C VAL A 31 -4.212 3.376 7.362 1.00 0.00 C ATOM 440 O VAL A 31 -3.970 4.577 7.489 1.00 0.00 O ATOM 441 CB VAL A 31 -5.173 1.731 9.023 1.00 0.00 C ATOM 442 CG1 VAL A 31 -4.526 2.405 10.241 1.00 0.00 C ATOM 443 CG2 VAL A 31 -6.409 0.966 9.504 1.00 0.00 C ATOM 0 H VAL A 31 -6.415 1.234 6.876 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.083 3.556 8.447 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.494 1.018 8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.302 1.652 10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.603 2.899 9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.213 3.143 10.656 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.115 0.239 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.126 1.666 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.867 0.448 8.661 1.00 0.00 H new ATOM 453 N ILE A 32 -3.441 2.534 6.672 1.00 0.00 N ATOM 454 CA ILE A 32 -2.166 2.866 6.056 1.00 0.00 C ATOM 455 C ILE A 32 -2.321 3.992 5.030 1.00 0.00 C ATOM 456 O ILE A 32 -1.457 4.865 4.958 1.00 0.00 O ATOM 457 CB ILE A 32 -1.541 1.582 5.461 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.358 0.489 6.550 1.00 0.00 C ATOM 459 CG2 ILE A 32 -0.188 1.905 4.803 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.124 -0.933 6.038 1.00 0.00 C ATOM 0 H ILE A 32 -3.705 1.560 6.524 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.480 3.252 6.810 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.223 1.195 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.515 0.770 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.244 0.484 7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.242 0.993 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.336 2.632 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.490 2.319 5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.010 -1.610 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.975 -1.247 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.219 -0.957 5.430 1.00 0.00 H new ATOM 472 N ALA A 33 -3.410 4.012 4.254 1.00 0.00 N ATOM 473 CA ALA A 33 -3.656 5.035 3.256 1.00 0.00 C ATOM 474 C ALA A 33 -4.093 6.359 3.882 1.00 0.00 C ATOM 475 O ALA A 33 -4.349 7.311 3.143 1.00 0.00 O ATOM 476 CB ALA A 33 -4.712 4.556 2.263 1.00 0.00 C ATOM 0 H ALA A 33 -4.146 3.308 4.309 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.715 5.213 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.889 5.332 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.362 3.650 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.640 4.343 2.793 1.00 0.00 H new ATOM 482 N HIS A 34 -4.185 6.441 5.212 1.00 0.00 N ATOM 483 CA HIS A 34 -4.602 7.617 5.954 1.00 0.00 C ATOM 484 C HIS A 34 -5.987 8.063 5.470 1.00 0.00 C ATOM 485 O HIS A 34 -6.176 9.196 5.027 1.00 0.00 O ATOM 486 CB HIS A 34 -3.516 8.709 5.922 1.00 0.00 C ATOM 487 CG HIS A 34 -2.180 8.318 6.514 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.980 8.952 6.286 1.00 0.00 N ATOM 489 CD2 HIS A 34 -1.938 7.307 7.402 1.00 0.00 C ATOM 490 CE1 HIS A 34 -0.041 8.350 7.033 1.00 0.00 C ATOM 491 NE2 HIS A 34 -0.590 7.367 7.769 1.00 0.00 N ATOM 0 H HIS A 34 -3.960 5.653 5.819 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.713 7.380 7.012 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.360 9.011 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.889 9.583 6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.661 6.588 7.758 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.005 8.617 7.042 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.117 6.782 8.458 1.00 0.00 H new ATOM 499 N ASN A 35 -6.954 7.139 5.567 1.00 0.00 N ATOM 500 CA ASN A 35 -8.364 7.305 5.196 1.00 0.00 C ATOM 501 C ASN A 35 -8.576 7.673 3.724 1.00 0.00 C ATOM 502 O ASN A 35 -9.639 8.178 3.362 1.00 0.00 O ATOM 503 CB ASN A 35 -9.061 8.305 6.140 1.00 0.00 C ATOM 504 CG ASN A 35 -9.017 7.871 7.595 1.00 0.00 C ATOM 505 OD1 ASN A 35 -8.047 8.113 8.311 1.00 0.00 O ATOM 506 ND2 ASN A 35 -10.018 7.160 8.076 1.00 0.00 N ATOM 0 H ASN A 35 -6.761 6.204 5.927 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.831 6.327 5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.586 9.281 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.100 8.424 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.984 6.815 9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.826 6.955 7.489 1.00 0.00 H new ATOM 513 N ASN A 36 -7.590 7.444 2.853 1.00 0.00 N ATOM 514 CA ASN A 36 -7.721 7.775 1.439 1.00 0.00 C ATOM 515 C ASN A 36 -8.155 6.527 0.678 1.00 0.00 C ATOM 516 O ASN A 36 -7.332 5.649 0.419 1.00 0.00 O ATOM 517 CB ASN A 36 -6.414 8.369 0.913 1.00 0.00 C ATOM 518 CG ASN A 36 -6.543 8.880 -0.514 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.298 8.347 -1.318 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.779 9.898 -0.859 1.00 0.00 N ATOM 0 H ASN A 36 -6.693 7.030 3.106 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.486 8.537 1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.102 9.187 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.631 7.612 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.809 10.258 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.158 10.326 -0.172 1.00 0.00 H new ATOM 527 N ILE A 37 -9.444 6.424 0.344 1.00 0.00 N ATOM 528 CA ILE A 37 -9.995 5.287 -0.391 1.00 0.00 C ATOM 529 C ILE A 37 -9.338 5.140 -1.763 1.00 0.00 C ATOM 530 O ILE A 37 -9.083 4.023 -2.190 1.00 0.00 O ATOM 531 CB ILE A 37 -11.536 5.401 -0.515 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.191 4.255 -1.320 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.996 6.731 -1.134 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.193 2.916 -0.578 1.00 0.00 C ATOM 0 H ILE A 37 -10.138 7.134 0.579 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.771 4.384 0.177 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.869 5.339 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.218 4.530 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.663 4.137 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.084 6.748 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.653 7.559 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.577 6.831 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.667 2.156 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.167 2.619 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.746 3.018 0.356 1.00 0.00 H new ATOM 546 N GLU A 38 -9.055 6.232 -2.468 1.00 0.00 N ATOM 547 CA GLU A 38 -8.451 6.202 -3.802 1.00 0.00 C ATOM 548 C GLU A 38 -7.043 5.602 -3.740 1.00 0.00 C ATOM 549 O GLU A 38 -6.616 4.852 -4.622 1.00 0.00 O ATOM 550 CB GLU A 38 -8.454 7.616 -4.410 1.00 0.00 C ATOM 551 CG GLU A 38 -9.845 8.258 -4.266 1.00 0.00 C ATOM 552 CD GLU A 38 -10.084 9.419 -5.224 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.325 9.146 -6.425 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.194 10.580 -4.771 1.00 0.00 O ATOM 0 H GLU A 38 -9.240 7.175 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.043 5.560 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.707 8.235 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.176 7.567 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.606 7.496 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.969 8.611 -3.242 1.00 0.00 H new ATOM 561 N MET A 39 -6.314 5.922 -2.677 1.00 0.00 N ATOM 562 CA MET A 39 -4.972 5.437 -2.420 1.00 0.00 C ATOM 563 C MET A 39 -5.092 3.967 -2.016 1.00 0.00 C ATOM 564 O MET A 39 -4.443 3.111 -2.612 1.00 0.00 O ATOM 565 CB MET A 39 -4.354 6.326 -1.341 1.00 0.00 C ATOM 566 CG MET A 39 -2.835 6.282 -1.239 1.00 0.00 C ATOM 567 SD MET A 39 -2.215 7.762 -0.369 1.00 0.00 S ATOM 568 CE MET A 39 -0.473 7.808 -0.867 1.00 0.00 C ATOM 0 H MET A 39 -6.657 6.548 -1.948 1.00 0.00 H new ATOM 0 HA MET A 39 -4.315 5.486 -3.288 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.658 7.356 -1.527 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.773 6.040 -0.376 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.525 5.383 -0.707 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.398 6.228 -2.236 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.063 8.797 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.086 7.061 -0.304 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.393 7.593 -1.933 1.00 0.00 H new ATOM 578 N ALA A 40 -5.979 3.647 -1.067 1.00 0.00 N ATOM 579 CA ALA A 40 -6.205 2.288 -0.593 1.00 0.00 C ATOM 580 C ALA A 40 -6.638 1.366 -1.741 1.00 0.00 C ATOM 581 O ALA A 40 -6.234 0.206 -1.795 1.00 0.00 O ATOM 582 CB ALA A 40 -7.262 2.300 0.516 1.00 0.00 C ATOM 0 H ALA A 40 -6.566 4.340 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.269 1.899 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.430 1.283 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.914 2.919 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.195 2.707 0.125 1.00 0.00 H new ATOM 588 N LYS A 41 -7.440 1.878 -2.680 1.00 0.00 N ATOM 589 CA LYS A 41 -7.922 1.150 -3.849 1.00 0.00 C ATOM 590 C LYS A 41 -6.716 0.647 -4.620 1.00 0.00 C ATOM 591 O LYS A 41 -6.684 -0.529 -4.984 1.00 0.00 O ATOM 592 CB LYS A 41 -8.786 2.064 -4.737 1.00 0.00 C ATOM 593 CG LYS A 41 -10.269 1.979 -4.366 1.00 0.00 C ATOM 594 CD LYS A 41 -11.123 2.909 -5.234 1.00 0.00 C ATOM 595 CE LYS A 41 -12.589 2.647 -4.885 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.512 2.958 -5.993 1.00 0.00 N ATOM 0 H LYS A 41 -7.779 2.839 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.544 0.311 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.445 3.095 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.656 1.784 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.615 0.952 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.397 2.241 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.865 3.951 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.941 2.720 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.708 1.601 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.861 3.244 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.489 2.761 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.424 3.963 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.275 2.370 -6.818 1.00 0.00 H new ATOM 610 N ASN A 42 -5.740 1.524 -4.869 1.00 0.00 N ATOM 611 CA ASN A 42 -4.523 1.171 -5.584 1.00 0.00 C ATOM 612 C ASN A 42 -3.794 0.056 -4.840 1.00 0.00 C ATOM 613 O ASN A 42 -3.330 -0.877 -5.480 1.00 0.00 O ATOM 614 CB ASN A 42 -3.591 2.377 -5.752 1.00 0.00 C ATOM 615 CG ASN A 42 -3.951 3.244 -6.937 1.00 0.00 C ATOM 616 OD1 ASN A 42 -3.462 3.030 -8.036 1.00 0.00 O ATOM 617 ND2 ASN A 42 -4.812 4.230 -6.761 1.00 0.00 N ATOM 0 H ASN A 42 -5.777 2.501 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.808 0.830 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.621 2.981 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.566 2.024 -5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.076 4.823 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.213 4.398 -5.838 1.00 0.00 H new ATOM 624 N ILE A 43 -3.701 0.122 -3.508 1.00 0.00 N ATOM 625 CA ILE A 43 -3.023 -0.902 -2.709 1.00 0.00 C ATOM 626 C ILE A 43 -3.670 -2.256 -2.978 1.00 0.00 C ATOM 627 O ILE A 43 -2.987 -3.197 -3.371 1.00 0.00 O ATOM 628 CB ILE A 43 -3.001 -0.547 -1.205 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.336 0.832 -1.017 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.246 -1.643 -0.432 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.259 1.335 0.420 1.00 0.00 C ATOM 0 H ILE A 43 -4.093 0.885 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.977 -0.951 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.017 -0.493 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.325 0.786 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.884 1.564 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.229 -1.394 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.749 -2.600 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.224 -1.712 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.774 2.311 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.265 1.422 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.682 0.632 1.021 1.00 0.00 H new ATOM 643 N LEU A 44 -4.987 -2.354 -2.804 1.00 0.00 N ATOM 644 CA LEU A 44 -5.722 -3.594 -3.024 1.00 0.00 C ATOM 645 C LEU A 44 -5.533 -4.088 -4.466 1.00 0.00 C ATOM 646 O LEU A 44 -5.274 -5.270 -4.693 1.00 0.00 O ATOM 647 CB LEU A 44 -7.208 -3.371 -2.692 1.00 0.00 C ATOM 648 CG LEU A 44 -7.486 -3.038 -1.214 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.920 -2.534 -1.063 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.281 -4.247 -0.301 1.00 0.00 C ATOM 0 H LEU A 44 -5.573 -1.574 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.332 -4.370 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.589 -2.560 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.767 -4.267 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.776 -2.268 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.115 -2.299 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.056 -1.637 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.614 -3.306 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.489 -3.963 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.957 -5.048 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.251 -4.593 -0.382 1.00 0.00 H new ATOM 662 N ARG A 45 -5.638 -3.170 -5.432 1.00 0.00 N ATOM 663 CA ARG A 45 -5.501 -3.409 -6.866 1.00 0.00 C ATOM 664 C ARG A 45 -4.100 -3.883 -7.250 1.00 0.00 C ATOM 665 O ARG A 45 -3.970 -4.540 -8.280 1.00 0.00 O ATOM 666 CB ARG A 45 -5.875 -2.105 -7.596 1.00 0.00 C ATOM 667 CG ARG A 45 -5.905 -2.165 -9.129 1.00 0.00 C ATOM 668 CD ARG A 45 -6.388 -0.815 -9.662 1.00 0.00 C ATOM 669 NE ARG A 45 -6.470 -0.799 -11.129 1.00 0.00 N ATOM 670 CZ ARG A 45 -7.002 0.180 -11.863 1.00 0.00 C ATOM 671 NH1 ARG A 45 -7.523 1.246 -11.263 1.00 0.00 N ATOM 672 NH2 ARG A 45 -7.033 0.092 -13.189 1.00 0.00 N ATOM 0 H ARG A 45 -5.831 -2.191 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.170 -4.217 -7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.858 -1.788 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.167 -1.332 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.912 -2.392 -9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.568 -2.963 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.368 -0.589 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.709 -0.030 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.089 -1.603 -11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.515 1.313 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.931 1.997 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.648 -0.730 -13.655 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.442 0.846 -13.741 1.00 0.00 H new ATOM 686 N GLU A 46 -3.087 -3.671 -6.407 1.00 0.00 N ATOM 687 CA GLU A 46 -1.707 -4.059 -6.683 1.00 0.00 C ATOM 688 C GLU A 46 -1.161 -5.183 -5.794 1.00 0.00 C ATOM 689 O GLU A 46 -0.301 -5.923 -6.275 1.00 0.00 O ATOM 690 CB GLU A 46 -0.829 -2.809 -6.539 1.00 0.00 C ATOM 691 CG GLU A 46 -1.124 -1.737 -7.608 1.00 0.00 C ATOM 692 CD GLU A 46 -0.597 -2.073 -9.000 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.004 -3.157 -9.205 1.00 0.00 O ATOM 694 OE2 GLU A 46 -0.736 -1.196 -9.886 1.00 0.00 O ATOM 0 H GLU A 46 -3.207 -3.218 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.687 -4.466 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.980 -2.378 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.220 -3.099 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.202 -1.588 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.688 -0.791 -7.286 1.00 0.00 H new ATOM 701 N PHE A 47 -1.656 -5.358 -4.562 1.00 0.00 N ATOM 702 CA PHE A 47 -1.208 -6.379 -3.612 1.00 0.00 C ATOM 703 C PHE A 47 -2.247 -7.490 -3.378 1.00 0.00 C ATOM 704 O PHE A 47 -1.983 -8.664 -3.646 1.00 0.00 O ATOM 705 CB PHE A 47 -0.829 -5.709 -2.271 1.00 0.00 C ATOM 706 CG PHE A 47 0.510 -4.985 -2.248 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.640 -3.660 -2.713 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.643 -5.650 -1.743 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.900 -3.031 -2.714 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.897 -5.021 -1.732 1.00 0.00 C ATOM 711 CZ PHE A 47 3.029 -3.715 -2.230 1.00 0.00 C ATOM 0 H PHE A 47 -2.403 -4.773 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.336 -6.863 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.611 -4.996 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.821 -6.473 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.229 -3.126 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.546 -6.655 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.999 -2.022 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.759 -5.541 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.997 -3.236 -2.241 1.00 0.00 H new ATOM 721 N SER A 48 -3.428 -7.141 -2.861 1.00 0.00 N ATOM 722 CA SER A 48 -4.520 -8.065 -2.542 1.00 0.00 C ATOM 723 C SER A 48 -5.242 -8.698 -3.740 1.00 0.00 C ATOM 724 O SER A 48 -6.303 -9.299 -3.554 1.00 0.00 O ATOM 725 CB SER A 48 -5.519 -7.354 -1.627 1.00 0.00 C ATOM 726 OG SER A 48 -4.934 -7.117 -0.375 1.00 0.00 O ATOM 0 H SER A 48 -3.659 -6.171 -2.645 1.00 0.00 H new ATOM 0 HA SER A 48 -4.050 -8.914 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.830 -6.411 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.415 -7.963 -1.510 1.00 0.00 H new ATOM 0 HG SER A 48 -5.347 -7.701 0.295 1.00 0.00 H new ATOM 865 N LEU B 9 15.724 7.535 -1.387 1.00 0.00 N ATOM 866 CA LEU B 9 14.964 6.288 -1.324 1.00 0.00 C ATOM 867 C LEU B 9 15.779 5.102 -1.839 1.00 0.00 C ATOM 868 O LEU B 9 15.438 3.960 -1.550 1.00 0.00 O ATOM 869 CB LEU B 9 13.671 6.414 -2.155 1.00 0.00 C ATOM 870 CG LEU B 9 12.412 6.517 -1.288 1.00 0.00 C ATOM 871 CD1 LEU B 9 12.330 7.852 -0.542 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.172 6.356 -2.166 1.00 0.00 C ATOM 0 HA LEU B 9 14.719 6.107 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.740 7.295 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.583 5.550 -2.813 1.00 0.00 H new ATOM 0 HG LEU B 9 12.461 5.722 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU B 9 11.421 7.878 0.059 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.198 7.959 0.108 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.313 8.670 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.277 6.429 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.157 7.141 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.196 5.382 -2.655 1.00 0.00 H new ATOM 884 N SER B 10 16.842 5.351 -2.600 1.00 0.00 N ATOM 885 CA SER B 10 17.732 4.358 -3.184 1.00 0.00 C ATOM 886 C SER B 10 18.230 3.378 -2.127 1.00 0.00 C ATOM 887 O SER B 10 17.982 2.177 -2.231 1.00 0.00 O ATOM 888 CB SER B 10 18.888 5.107 -3.872 1.00 0.00 C ATOM 889 OG SER B 10 19.182 6.323 -3.191 1.00 0.00 O ATOM 0 H SER B 10 17.118 6.304 -2.837 1.00 0.00 H new ATOM 0 HA SER B 10 17.200 3.758 -3.923 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.775 4.474 -3.894 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.623 5.320 -4.908 1.00 0.00 H new ATOM 0 HG SER B 10 19.920 6.781 -3.644 1.00 0.00 H new ATOM 895 N SER B 11 18.924 3.893 -1.114 1.00 0.00 N ATOM 896 CA SER B 11 19.474 3.130 -0.005 1.00 0.00 C ATOM 897 C SER B 11 18.362 2.450 0.799 1.00 0.00 C ATOM 898 O SER B 11 18.510 1.324 1.268 1.00 0.00 O ATOM 899 CB SER B 11 20.293 4.093 0.875 1.00 0.00 C ATOM 900 OG SER B 11 19.790 5.430 0.841 1.00 0.00 O ATOM 0 H SER B 11 19.124 4.891 -1.044 1.00 0.00 H new ATOM 0 HA SER B 11 20.119 2.335 -0.381 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.288 3.733 1.904 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.331 4.090 0.542 1.00 0.00 H new ATOM 0 HG SER B 11 19.130 5.550 1.556 1.00 0.00 H new ATOM 906 N GLU B 12 17.215 3.111 0.922 1.00 0.00 N ATOM 907 CA GLU B 12 16.071 2.629 1.664 1.00 0.00 C ATOM 908 C GLU B 12 15.486 1.368 1.021 1.00 0.00 C ATOM 909 O GLU B 12 15.035 0.500 1.769 1.00 0.00 O ATOM 910 CB GLU B 12 15.047 3.760 1.824 1.00 0.00 C ATOM 911 CG GLU B 12 15.392 4.860 2.851 1.00 0.00 C ATOM 912 CD GLU B 12 16.885 5.096 3.132 1.00 0.00 C ATOM 913 OE1 GLU B 12 17.637 5.535 2.236 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.306 4.867 4.294 1.00 0.00 O ATOM 0 H GLU B 12 17.059 4.023 0.493 1.00 0.00 H new ATOM 0 HA GLU B 12 16.383 2.330 2.665 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.906 4.233 0.852 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.091 3.318 2.105 1.00 0.00 H new ATOM 0 HG2 GLU B 12 14.958 5.798 2.504 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.903 4.612 3.793 1.00 0.00 H new ATOM 921 N ILE B 13 15.520 1.236 -0.313 1.00 0.00 N ATOM 922 CA ILE B 13 15.014 0.059 -1.027 1.00 0.00 C ATOM 923 C ILE B 13 15.868 -1.135 -0.586 1.00 0.00 C ATOM 924 O ILE B 13 15.326 -2.172 -0.208 1.00 0.00 O ATOM 925 CB ILE B 13 15.033 0.297 -2.564 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.996 1.377 -2.946 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.736 -0.971 -3.403 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.310 2.119 -4.246 1.00 0.00 C ATOM 0 H ILE B 13 15.904 1.951 -0.931 1.00 0.00 H new ATOM 0 HA ILE B 13 13.971 -0.142 -0.783 1.00 0.00 H new ATOM 0 HB ILE B 13 16.050 0.614 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.016 0.908 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.928 2.102 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.768 -0.721 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.484 -1.734 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.747 -1.352 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.533 2.858 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.274 2.620 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE B 13 14.348 1.408 -5.071 1.00 0.00 H new ATOM 940 N GLU B 14 17.195 -0.981 -0.557 1.00 0.00 N ATOM 941 CA GLU B 14 18.132 -2.032 -0.146 1.00 0.00 C ATOM 942 C GLU B 14 17.855 -2.479 1.296 1.00 0.00 C ATOM 943 O GLU B 14 17.996 -3.658 1.653 1.00 0.00 O ATOM 944 CB GLU B 14 19.585 -1.527 -0.198 1.00 0.00 C ATOM 945 CG GLU B 14 19.967 -0.699 -1.428 1.00 0.00 C ATOM 946 CD GLU B 14 19.919 -1.500 -2.722 1.00 0.00 C ATOM 947 OE1 GLU B 14 20.932 -2.162 -3.046 1.00 0.00 O ATOM 948 OE2 GLU B 14 18.928 -1.414 -3.479 1.00 0.00 O ATOM 0 H GLU B 14 17.656 -0.110 -0.822 1.00 0.00 H new ATOM 0 HA GLU B 14 17.994 -2.864 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.771 -0.925 0.692 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.250 -2.389 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.292 0.153 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU B 14 20.972 -0.298 -1.292 1.00 0.00 H new ATOM 955 N ARG B 15 17.458 -1.528 2.151 1.00 0.00 N ATOM 956 CA ARG B 15 17.175 -1.824 3.548 1.00 0.00 C ATOM 957 C ARG B 15 15.928 -2.692 3.647 1.00 0.00 C ATOM 958 O ARG B 15 15.851 -3.526 4.550 1.00 0.00 O ATOM 959 CB ARG B 15 17.042 -0.519 4.336 1.00 0.00 C ATOM 960 CG ARG B 15 18.392 0.201 4.492 1.00 0.00 C ATOM 961 CD ARG B 15 18.225 1.577 5.144 1.00 0.00 C ATOM 962 NE ARG B 15 17.622 1.441 6.475 1.00 0.00 N ATOM 963 CZ ARG B 15 17.163 2.423 7.249 1.00 0.00 C ATOM 964 NH1 ARG B 15 17.095 3.675 6.812 1.00 0.00 N ATOM 965 NH2 ARG B 15 16.736 2.121 8.468 1.00 0.00 N ATOM 0 H ARG B 15 17.328 -0.550 1.893 1.00 0.00 H new ATOM 0 HA ARG B 15 17.999 -2.387 3.987 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.336 0.140 3.830 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.629 -0.732 5.322 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.063 -0.410 5.096 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.859 0.315 3.514 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.195 2.068 5.225 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.598 2.210 4.516 1.00 0.00 H new ATOM 0 HE ARG B 15 17.546 0.494 6.847 1.00 0.00 H new ATOM 0 HH11 ARG B 15 17.398 3.902 5.865 1.00 0.00 H new ATOM 0 HH12 ARG B 15 16.740 4.410 7.424 1.00 0.00 H new ATOM 0 HH21 ARG B 15 16.764 1.155 8.793 1.00 0.00 H new ATOM 0 HH22 ARG B 15 16.380 2.855 9.080 1.00 0.00 H new ATOM 979 N LEU B 16 14.952 -2.496 2.754 1.00 0.00 N ATOM 980 CA LEU B 16 13.727 -3.287 2.736 1.00 0.00 C ATOM 981 C LEU B 16 14.020 -4.634 2.088 1.00 0.00 C ATOM 982 O LEU B 16 13.515 -5.647 2.567 1.00 0.00 O ATOM 983 CB LEU B 16 12.577 -2.546 2.034 1.00 0.00 C ATOM 984 CG LEU B 16 12.174 -1.236 2.740 1.00 0.00 C ATOM 985 CD1 LEU B 16 10.898 -0.670 2.114 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.987 -1.413 4.252 1.00 0.00 C ATOM 0 H LEU B 16 14.994 -1.783 2.025 1.00 0.00 H new ATOM 0 HA LEU B 16 13.392 -3.452 3.760 1.00 0.00 H new ATOM 0 HB2 LEU B 16 12.871 -2.322 1.008 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.709 -3.204 1.981 1.00 0.00 H new ATOM 0 HG LEU B 16 12.995 -0.533 2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.623 0.255 2.621 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.070 -0.467 1.057 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.090 -1.394 2.217 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.704 -0.459 4.698 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.203 -2.147 4.438 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.921 -1.758 4.696 1.00 0.00 H new ATOM 998 N MET B 17 14.868 -4.686 1.055 1.00 0.00 N ATOM 999 CA MET B 17 15.225 -5.941 0.402 1.00 0.00 C ATOM 1000 C MET B 17 15.792 -6.909 1.434 1.00 0.00 C ATOM 1001 O MET B 17 15.468 -8.094 1.403 1.00 0.00 O ATOM 1002 CB MET B 17 16.291 -5.718 -0.674 1.00 0.00 C ATOM 1003 CG MET B 17 15.714 -5.164 -1.966 1.00 0.00 C ATOM 1004 SD MET B 17 16.891 -5.292 -3.326 1.00 0.00 S ATOM 1005 CE MET B 17 15.827 -4.645 -4.625 1.00 0.00 C ATOM 0 H MET B 17 15.320 -3.864 0.654 1.00 0.00 H new ATOM 0 HA MET B 17 14.324 -6.346 -0.059 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.046 -5.030 -0.294 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.795 -6.662 -0.881 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.803 -5.706 -2.220 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.435 -4.120 -1.823 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.179 -4.999 -5.594 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.805 -4.988 -4.463 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.851 -3.555 -4.606 1.00 0.00 H new ATOM 1015 N SER B 18 16.604 -6.398 2.363 1.00 0.00 N ATOM 1016 CA SER B 18 17.226 -7.183 3.417 1.00 0.00 C ATOM 1017 C SER B 18 16.213 -7.857 4.356 1.00 0.00 C ATOM 1018 O SER B 18 16.588 -8.784 5.068 1.00 0.00 O ATOM 1019 CB SER B 18 18.215 -6.292 4.171 1.00 0.00 C ATOM 1020 OG SER B 18 19.215 -5.826 3.274 1.00 0.00 O ATOM 0 H SER B 18 16.848 -5.408 2.399 1.00 0.00 H new ATOM 0 HA SER B 18 17.761 -8.014 2.957 1.00 0.00 H new ATOM 0 HB2 SER B 18 17.691 -5.447 4.619 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.675 -6.850 4.986 1.00 0.00 H new ATOM 0 HG SER B 18 18.847 -5.107 2.719 1.00 0.00 H new ATOM 1026 N GLN B 19 14.954 -7.410 4.399 1.00 0.00 N ATOM 1027 CA GLN B 19 13.926 -8.016 5.240 1.00 0.00 C ATOM 1028 C GLN B 19 13.354 -9.252 4.524 1.00 0.00 C ATOM 1029 O GLN B 19 13.007 -10.239 5.181 1.00 0.00 O ATOM 1030 CB GLN B 19 12.803 -7.003 5.503 1.00 0.00 C ATOM 1031 CG GLN B 19 13.230 -5.737 6.265 1.00 0.00 C ATOM 1032 CD GLN B 19 13.531 -5.993 7.739 1.00 0.00 C ATOM 1033 OE1 GLN B 19 14.664 -5.851 8.192 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.532 -6.314 8.541 1.00 0.00 N ATOM 0 H GLN B 19 14.622 -6.617 3.850 1.00 0.00 H new ATOM 0 HA GLN B 19 14.363 -8.314 6.193 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.373 -6.705 4.547 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.013 -7.499 6.067 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.115 -5.316 5.788 1.00 0.00 H new ATOM 0 HG3 GLN B 19 12.440 -4.990 6.187 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.592 -6.431 8.163 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.700 -6.444 9.538 1.00 0.00 H new ATOM 1043 N GLY B 20 13.296 -9.220 3.187 1.00 0.00 N ATOM 1044 CA GLY B 20 12.780 -10.286 2.331 1.00 0.00 C ATOM 1045 C GLY B 20 11.733 -9.789 1.328 1.00 0.00 C ATOM 1046 O GLY B 20 11.192 -10.601 0.573 1.00 0.00 O ATOM 0 H GLY B 20 13.622 -8.414 2.653 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.608 -10.743 1.789 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.339 -11.064 2.954 1.00 0.00 H new ATOM 1050 N TYR B 21 11.402 -8.490 1.331 1.00 0.00 N ATOM 1051 CA TYR B 21 10.430 -7.919 0.407 1.00 0.00 C ATOM 1052 C TYR B 21 11.061 -7.912 -0.986 1.00 0.00 C ATOM 1053 O TYR B 21 12.153 -7.364 -1.170 1.00 0.00 O ATOM 1054 CB TYR B 21 10.031 -6.496 0.829 1.00 0.00 C ATOM 1055 CG TYR B 21 9.426 -6.397 2.218 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.131 -6.884 2.473 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.174 -5.845 3.273 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.592 -6.817 3.772 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.655 -5.807 4.579 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.357 -6.291 4.835 1.00 0.00 C ATOM 1061 OH TYR B 21 7.843 -6.242 6.090 1.00 0.00 O ATOM 0 H TYR B 21 11.805 -7.811 1.977 1.00 0.00 H new ATOM 0 HA TYR B 21 9.519 -8.518 0.410 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.913 -5.857 0.784 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.316 -6.103 0.106 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.548 -7.311 1.670 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.158 -5.446 3.078 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.588 -7.170 3.956 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.251 -5.407 5.386 1.00 0.00 H new ATOM 0 HH TYR B 21 8.504 -5.852 6.699 1.00 0.00 H new ATOM 1071 N SER B 22 10.384 -8.511 -1.961 1.00 0.00 N ATOM 1072 CA SER B 22 10.866 -8.582 -3.330 1.00 0.00 C ATOM 1073 C SER B 22 10.925 -7.195 -3.967 1.00 0.00 C ATOM 1074 O SER B 22 10.177 -6.292 -3.589 1.00 0.00 O ATOM 1075 CB SER B 22 9.933 -9.492 -4.126 1.00 0.00 C ATOM 1076 OG SER B 22 9.654 -10.679 -3.407 1.00 0.00 O ATOM 0 H SER B 22 9.480 -8.962 -1.819 1.00 0.00 H new ATOM 0 HA SER B 22 11.878 -8.986 -3.334 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.003 -8.966 -4.343 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.390 -9.741 -5.084 1.00 0.00 H new ATOM 0 HG SER B 22 9.054 -11.247 -3.934 1.00 0.00 H new ATOM 1082 N TYR B 23 11.769 -7.056 -4.993 1.00 0.00 N ATOM 1083 CA TYR B 23 11.956 -5.809 -5.725 1.00 0.00 C ATOM 1084 C TYR B 23 10.626 -5.251 -6.221 1.00 0.00 C ATOM 1085 O TYR B 23 10.323 -4.080 -6.008 1.00 0.00 O ATOM 1086 CB TYR B 23 12.895 -6.061 -6.911 1.00 0.00 C ATOM 1087 CG TYR B 23 13.093 -4.852 -7.804 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.736 -3.716 -7.289 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.628 -4.844 -9.135 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.957 -2.596 -8.098 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.839 -3.718 -9.954 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.516 -2.587 -9.439 1.00 0.00 C ATOM 1093 OH TYR B 23 13.725 -1.485 -10.211 1.00 0.00 O ATOM 0 H TYR B 23 12.348 -7.820 -5.340 1.00 0.00 H new ATOM 0 HA TYR B 23 12.394 -5.072 -5.052 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.865 -6.384 -6.532 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.498 -6.881 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.063 -3.706 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.108 -5.705 -9.528 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.468 -1.734 -7.694 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.484 -3.718 -10.974 1.00 0.00 H new ATOM 0 HH TYR B 23 13.363 -1.641 -11.108 1.00 0.00 H new ATOM 1103 N GLN B 24 9.829 -6.111 -6.858 1.00 0.00 N ATOM 1104 CA GLN B 24 8.532 -5.748 -7.409 1.00 0.00 C ATOM 1105 C GLN B 24 7.604 -5.190 -6.340 1.00 0.00 C ATOM 1106 O GLN B 24 6.963 -4.173 -6.572 1.00 0.00 O ATOM 1107 CB GLN B 24 7.885 -6.963 -8.083 1.00 0.00 C ATOM 1108 CG GLN B 24 8.692 -7.395 -9.308 1.00 0.00 C ATOM 1109 CD GLN B 24 7.997 -8.519 -10.064 1.00 0.00 C ATOM 1110 OE1 GLN B 24 7.021 -8.308 -10.773 1.00 0.00 O ATOM 1111 NE2 GLN B 24 8.511 -9.734 -9.985 1.00 0.00 N ATOM 0 H GLN B 24 10.074 -7.090 -7.005 1.00 0.00 H new ATOM 0 HA GLN B 24 8.695 -4.966 -8.151 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.822 -7.788 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.865 -6.720 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.834 -6.542 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.683 -7.724 -8.995 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.324 -9.906 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.095 -10.499 -10.515 1.00 0.00 H new ATOM 1120 N ASP B 25 7.539 -5.834 -5.176 1.00 0.00 N ATOM 1121 CA ASP B 25 6.675 -5.394 -4.086 1.00 0.00 C ATOM 1122 C ASP B 25 7.124 -4.032 -3.580 1.00 0.00 C ATOM 1123 O ASP B 25 6.289 -3.146 -3.386 1.00 0.00 O ATOM 1124 CB ASP B 25 6.650 -6.415 -2.946 1.00 0.00 C ATOM 1125 CG ASP B 25 5.963 -7.699 -3.384 1.00 0.00 C ATOM 1126 OD1 ASP B 25 4.716 -7.710 -3.503 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.673 -8.703 -3.602 1.00 0.00 O ATOM 0 H ASP B 25 8.082 -6.671 -4.964 1.00 0.00 H new ATOM 0 HA ASP B 25 5.659 -5.309 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.669 -6.634 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.129 -5.994 -2.086 1.00 0.00 H new ATOM 1132 N ILE B 26 8.435 -3.845 -3.366 1.00 0.00 N ATOM 1133 CA ILE B 26 8.966 -2.567 -2.897 1.00 0.00 C ATOM 1134 C ILE B 26 8.544 -1.504 -3.912 1.00 0.00 C ATOM 1135 O ILE B 26 7.894 -0.531 -3.538 1.00 0.00 O ATOM 1136 CB ILE B 26 10.496 -2.593 -2.681 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.950 -3.650 -1.650 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.938 -1.200 -2.192 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.441 -3.980 -1.802 1.00 0.00 C ATOM 0 H ILE B 26 9.142 -4.565 -3.512 1.00 0.00 H new ATOM 0 HA ILE B 26 8.557 -2.338 -1.913 1.00 0.00 H new ATOM 0 HB ILE B 26 10.957 -2.859 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.759 -3.282 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.361 -4.558 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.016 -1.196 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.679 -0.452 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.432 -0.966 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.726 -4.727 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.627 -4.372 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.031 -3.076 -1.651 1.00 0.00 H new ATOM 1151 N GLN B 27 8.886 -1.707 -5.184 1.00 0.00 N ATOM 1152 CA GLN B 27 8.558 -0.816 -6.284 1.00 0.00 C ATOM 1153 C GLN B 27 7.065 -0.505 -6.303 1.00 0.00 C ATOM 1154 O GLN B 27 6.715 0.663 -6.288 1.00 0.00 O ATOM 1155 CB GLN B 27 8.982 -1.480 -7.605 1.00 0.00 C ATOM 1156 CG GLN B 27 10.489 -1.394 -7.868 1.00 0.00 C ATOM 1157 CD GLN B 27 10.806 -0.129 -8.657 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.651 -0.104 -9.877 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.166 0.954 -8.000 1.00 0.00 N ATOM 0 H GLN B 27 9.417 -2.526 -5.481 1.00 0.00 H new ATOM 0 HA GLN B 27 9.092 0.125 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.682 -2.528 -7.590 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.448 -1.007 -8.429 1.00 0.00 H new ATOM 0 HG2 GLN B 27 11.032 -1.390 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.821 -2.272 -8.422 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.291 0.919 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.320 1.828 -8.503 1.00 0.00 H new ATOM 1168 N LYS B 28 6.170 -1.495 -6.318 1.00 0.00 N ATOM 1169 CA LYS B 28 4.718 -1.272 -6.345 1.00 0.00 C ATOM 1170 C LYS B 28 4.303 -0.372 -5.185 1.00 0.00 C ATOM 1171 O LYS B 28 3.482 0.523 -5.361 1.00 0.00 O ATOM 1172 CB LYS B 28 3.966 -2.619 -6.373 1.00 0.00 C ATOM 1173 CG LYS B 28 4.013 -3.230 -7.790 1.00 0.00 C ATOM 1174 CD LYS B 28 3.879 -4.758 -7.829 1.00 0.00 C ATOM 1175 CE LYS B 28 2.518 -5.316 -7.410 1.00 0.00 C ATOM 1176 NZ LYS B 28 1.504 -5.320 -8.483 1.00 0.00 N ATOM 0 H LYS B 28 6.431 -2.481 -6.312 1.00 0.00 H new ATOM 0 HA LYS B 28 4.443 -0.748 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.414 -3.308 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.930 -2.471 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.213 -2.792 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.954 -2.948 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.094 -5.097 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.642 -5.188 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.652 -6.336 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS B 28 2.141 -4.729 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.647 -5.804 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 1.270 -4.341 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 1.881 -5.818 -9.315 1.00 0.00 H new ATOM 1190 N ALA B 29 4.856 -0.570 -3.991 1.00 0.00 N ATOM 1191 CA ALA B 29 4.529 0.274 -2.844 1.00 0.00 C ATOM 1192 C ALA B 29 5.039 1.687 -3.166 1.00 0.00 C ATOM 1193 O ALA B 29 4.321 2.669 -2.953 1.00 0.00 O ATOM 1194 CB ALA B 29 5.121 -0.293 -1.550 1.00 0.00 C ATOM 0 H ALA B 29 5.532 -1.307 -3.792 1.00 0.00 H new ATOM 0 HA ALA B 29 3.453 0.306 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.860 0.357 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.719 -1.290 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.206 -0.350 -1.641 1.00 0.00 H new ATOM 1200 N LEU B 30 6.249 1.807 -3.734 1.00 0.00 N ATOM 1201 CA LEU B 30 6.871 3.072 -4.132 1.00 0.00 C ATOM 1202 C LEU B 30 6.154 3.756 -5.309 1.00 0.00 C ATOM 1203 O LEU B 30 6.521 4.876 -5.656 1.00 0.00 O ATOM 1204 CB LEU B 30 8.373 2.983 -4.419 1.00 0.00 C ATOM 1205 CG LEU B 30 9.262 2.546 -3.245 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.717 2.687 -3.673 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.026 3.376 -1.985 1.00 0.00 C ATOM 0 H LEU B 30 6.837 0.998 -3.934 1.00 0.00 H new ATOM 0 HA LEU B 30 6.754 3.694 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.524 2.284 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.715 3.959 -4.763 1.00 0.00 H new ATOM 0 HG LEU B 30 9.013 1.514 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.368 2.382 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.904 2.054 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.921 3.726 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.681 3.023 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.241 4.424 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.987 3.275 -1.672 1.00 0.00 H new ATOM 1219 N VAL B 31 5.055 3.189 -5.810 1.00 0.00 N ATOM 1220 CA VAL B 31 4.209 3.724 -6.891 1.00 0.00 C ATOM 1221 C VAL B 31 2.820 4.115 -6.345 1.00 0.00 C ATOM 1222 O VAL B 31 2.125 4.950 -6.928 1.00 0.00 O ATOM 1223 CB VAL B 31 4.102 2.675 -8.016 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.151 3.073 -9.149 1.00 0.00 C ATOM 1225 CG2 VAL B 31 5.476 2.414 -8.627 1.00 0.00 C ATOM 0 H VAL B 31 4.708 2.297 -5.457 1.00 0.00 H new ATOM 0 HA VAL B 31 4.661 4.627 -7.300 1.00 0.00 H new ATOM 0 HB VAL B 31 3.697 1.782 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.130 2.284 -9.901 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.148 3.218 -8.748 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.497 4.000 -9.606 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.386 1.672 -9.420 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.872 3.341 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL B 31 6.152 2.043 -7.857 1.00 0.00 H new ATOM 1235 N ILE B 32 2.440 3.599 -5.176 1.00 0.00 N ATOM 1236 CA ILE B 32 1.136 3.865 -4.559 1.00 0.00 C ATOM 1237 C ILE B 32 1.204 4.877 -3.411 1.00 0.00 C ATOM 1238 O ILE B 32 0.259 5.630 -3.198 1.00 0.00 O ATOM 1239 CB ILE B 32 0.511 2.528 -4.109 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.423 1.496 -5.259 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.892 2.777 -3.533 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.257 0.066 -4.738 1.00 0.00 C ATOM 0 H ILE B 32 3.032 2.979 -4.624 1.00 0.00 H new ATOM 0 HA ILE B 32 0.498 4.333 -5.309 1.00 0.00 H new ATOM 0 HB ILE B 32 1.165 2.109 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.418 1.746 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.324 1.557 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.329 1.830 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.820 3.447 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.524 3.231 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.200 -0.624 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.111 -0.195 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.658 -0.003 -4.150 1.00 0.00 H new ATOM 1254 N ALA B 33 2.289 4.894 -2.644 1.00 0.00 N ATOM 1255 CA ALA B 33 2.523 5.786 -1.526 1.00 0.00 C ATOM 1256 C ALA B 33 3.087 7.149 -1.984 1.00 0.00 C ATOM 1257 O ALA B 33 3.530 7.922 -1.144 1.00 0.00 O ATOM 1258 CB ALA B 33 3.459 5.056 -0.548 1.00 0.00 C ATOM 0 H ALA B 33 3.066 4.251 -2.798 1.00 0.00 H new ATOM 0 HA ALA B 33 1.584 6.026 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.660 5.697 0.310 1.00 0.00 H new ATOM 0 HB2 ALA B 33 2.985 4.135 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.397 4.818 -1.051 1.00 0.00 H new ATOM 1264 N HIS B 34 3.086 7.467 -3.282 1.00 0.00 N ATOM 1265 CA HIS B 34 3.616 8.706 -3.867 1.00 0.00 C ATOM 1266 C HIS B 34 5.067 8.957 -3.398 1.00 0.00 C ATOM 1267 O HIS B 34 5.427 10.028 -2.903 1.00 0.00 O ATOM 1268 CB HIS B 34 2.649 9.876 -3.628 1.00 0.00 C ATOM 1269 CG HIS B 34 1.202 9.571 -3.945 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.123 10.090 -3.273 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.722 8.711 -4.899 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -0.986 9.544 -3.798 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.675 8.704 -4.803 1.00 0.00 N ATOM 0 H HIS B 34 2.698 6.840 -3.987 1.00 0.00 H new ATOM 0 HA HIS B 34 3.681 8.604 -4.950 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.722 10.183 -2.585 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.969 10.724 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.315 8.141 -5.599 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.991 9.751 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.326 8.170 -5.379 1.00 0.00 H new ATOM 1281 N ASN B 35 5.914 7.930 -3.543 1.00 0.00 N ATOM 1282 CA ASN B 35 7.329 7.821 -3.193 1.00 0.00 C ATOM 1283 C ASN B 35 7.570 8.042 -1.689 1.00 0.00 C ATOM 1284 O ASN B 35 8.715 8.222 -1.275 1.00 0.00 O ATOM 1285 CB ASN B 35 8.214 8.680 -4.124 1.00 0.00 C ATOM 1286 CG ASN B 35 8.370 8.037 -5.501 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.402 7.873 -6.238 1.00 0.00 O ATOM 1288 ND2 ASN B 35 9.572 7.630 -5.883 1.00 0.00 N ATOM 0 H ASN B 35 5.582 7.058 -3.956 1.00 0.00 H new ATOM 0 HA ASN B 35 7.646 6.794 -3.373 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.774 9.671 -4.232 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.196 8.815 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN B 35 9.694 7.180 -6.790 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.376 7.767 -5.270 1.00 0.00 H new ATOM 1295 N ASN B 36 6.521 8.069 -0.852 1.00 0.00 N ATOM 1296 CA ASN B 36 6.642 8.247 0.595 1.00 0.00 C ATOM 1297 C ASN B 36 7.107 6.899 1.153 1.00 0.00 C ATOM 1298 O ASN B 36 6.290 5.982 1.315 1.00 0.00 O ATOM 1299 CB ASN B 36 5.298 8.688 1.192 1.00 0.00 C ATOM 1300 CG ASN B 36 5.340 8.913 2.693 1.00 0.00 C ATOM 1301 OD1 ASN B 36 5.955 8.167 3.449 1.00 0.00 O ATOM 1302 ND2 ASN B 36 4.600 9.879 3.190 1.00 0.00 N ATOM 0 H ASN B 36 5.557 7.966 -1.169 1.00 0.00 H new ATOM 0 HA ASN B 36 7.357 9.028 0.853 1.00 0.00 H new ATOM 0 HB2 ASN B 36 4.979 9.609 0.704 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.546 7.932 0.968 1.00 0.00 H new ATOM 0 HD21 ASN B 36 4.539 10.006 4.200 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.087 10.501 2.565 1.00 0.00 H new ATOM 1309 N ILE B 37 8.413 6.744 1.389 1.00 0.00 N ATOM 1310 CA ILE B 37 9.019 5.514 1.899 1.00 0.00 C ATOM 1311 C ILE B 37 8.335 5.054 3.192 1.00 0.00 C ATOM 1312 O ILE B 37 8.090 3.865 3.365 1.00 0.00 O ATOM 1313 CB ILE B 37 10.554 5.695 2.058 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.294 4.471 2.643 1.00 0.00 C ATOM 1315 CG2 ILE B 37 10.948 6.909 2.919 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.414 3.279 1.689 1.00 0.00 C ATOM 0 H ILE B 37 9.092 7.488 1.227 1.00 0.00 H new ATOM 0 HA ILE B 37 8.864 4.715 1.174 1.00 0.00 H new ATOM 0 HB ILE B 37 10.867 5.843 1.025 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.295 4.779 2.945 1.00 0.00 H new ATOM 0 HG13 ILE B 37 10.775 4.146 3.545 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.034 6.971 2.985 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.560 7.820 2.463 1.00 0.00 H new ATOM 0 HG23 ILE B 37 10.529 6.797 3.919 1.00 0.00 H new ATOM 0 HD11 ILE B 37 11.947 2.468 2.185 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.418 2.938 1.405 1.00 0.00 H new ATOM 0 HD13 ILE B 37 11.962 3.581 0.797 1.00 0.00 H new ATOM 1328 N GLU B 38 8.021 5.968 4.111 1.00 0.00 N ATOM 1329 CA GLU B 38 7.389 5.635 5.388 1.00 0.00 C ATOM 1330 C GLU B 38 6.003 5.016 5.205 1.00 0.00 C ATOM 1331 O GLU B 38 5.630 4.078 5.912 1.00 0.00 O ATOM 1332 CB GLU B 38 7.304 6.890 6.270 1.00 0.00 C ATOM 1333 CG GLU B 38 8.698 7.458 6.580 1.00 0.00 C ATOM 1334 CD GLU B 38 8.815 7.914 8.032 1.00 0.00 C ATOM 1335 OE1 GLU B 38 8.888 7.031 8.918 1.00 0.00 O ATOM 1336 OE2 GLU B 38 8.908 9.131 8.294 1.00 0.00 O ATOM 0 H GLU B 38 8.199 6.965 3.990 1.00 0.00 H new ATOM 0 HA GLU B 38 8.010 4.885 5.878 1.00 0.00 H new ATOM 0 HB2 GLU B 38 6.705 7.649 5.767 1.00 0.00 H new ATOM 0 HB3 GLU B 38 6.794 6.647 7.202 1.00 0.00 H new ATOM 0 HG2 GLU B 38 9.453 6.699 6.376 1.00 0.00 H new ATOM 0 HG3 GLU B 38 8.903 8.299 5.917 1.00 0.00 H new ATOM 1343 N MET B 39 5.236 5.539 4.256 1.00 0.00 N ATOM 1344 CA MET B 39 3.904 5.052 3.960 1.00 0.00 C ATOM 1345 C MET B 39 4.040 3.684 3.299 1.00 0.00 C ATOM 1346 O MET B 39 3.373 2.739 3.715 1.00 0.00 O ATOM 1347 CB MET B 39 3.185 6.107 3.117 1.00 0.00 C ATOM 1348 CG MET B 39 1.678 5.910 3.002 1.00 0.00 C ATOM 1349 SD MET B 39 0.885 7.376 2.278 1.00 0.00 S ATOM 1350 CE MET B 39 -0.739 7.381 3.086 1.00 0.00 C ATOM 0 H MET B 39 5.528 6.320 3.668 1.00 0.00 H new ATOM 0 HA MET B 39 3.290 4.905 4.849 1.00 0.00 H new ATOM 0 HB2 MET B 39 3.378 7.090 3.547 1.00 0.00 H new ATOM 0 HB3 MET B 39 3.615 6.108 2.116 1.00 0.00 H new ATOM 0 HG2 MET B 39 1.468 5.036 2.385 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.257 5.713 3.988 1.00 0.00 H new ATOM 0 HE1 MET B 39 -1.089 8.408 3.193 1.00 0.00 H new ATOM 0 HE2 MET B 39 -1.448 6.817 2.480 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.657 6.921 4.071 1.00 0.00 H new ATOM 1360 N ALA B 40 4.945 3.538 2.323 1.00 0.00 N ATOM 1361 CA ALA B 40 5.166 2.268 1.638 1.00 0.00 C ATOM 1362 C ALA B 40 5.598 1.181 2.626 1.00 0.00 C ATOM 1363 O ALA B 40 5.149 0.039 2.520 1.00 0.00 O ATOM 1364 CB ALA B 40 6.221 2.439 0.542 1.00 0.00 C ATOM 0 H ALA B 40 5.540 4.297 1.990 1.00 0.00 H new ATOM 0 HA ALA B 40 4.227 1.957 1.181 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.379 1.486 0.037 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.879 3.180 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.158 2.773 0.988 1.00 0.00 H new ATOM 1370 N LYS B 41 6.446 1.533 3.599 1.00 0.00 N ATOM 1371 CA LYS B 41 6.931 0.625 4.636 1.00 0.00 C ATOM 1372 C LYS B 41 5.735 0.017 5.366 1.00 0.00 C ATOM 1373 O LYS B 41 5.719 -1.181 5.645 1.00 0.00 O ATOM 1374 CB LYS B 41 7.834 1.402 5.615 1.00 0.00 C ATOM 1375 CG LYS B 41 9.273 1.516 5.111 1.00 0.00 C ATOM 1376 CD LYS B 41 10.118 2.456 5.981 1.00 0.00 C ATOM 1377 CE LYS B 41 11.565 2.297 5.518 1.00 0.00 C ATOM 1378 NZ LYS B 41 12.557 3.060 6.299 1.00 0.00 N ATOM 0 H LYS B 41 6.820 2.478 3.686 1.00 0.00 H new ATOM 0 HA LYS B 41 7.516 -0.179 4.190 1.00 0.00 H new ATOM 0 HB2 LYS B 41 7.425 2.401 5.768 1.00 0.00 H new ATOM 0 HB3 LYS B 41 7.829 0.903 6.584 1.00 0.00 H new ATOM 0 HG2 LYS B 41 9.731 0.527 5.097 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.269 1.880 4.084 1.00 0.00 H new ATOM 0 HD2 LYS B 41 9.787 3.489 5.870 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.019 2.201 7.036 1.00 0.00 H new ATOM 0 HE2 LYS B 41 11.829 1.240 5.557 1.00 0.00 H new ATOM 0 HE3 LYS B 41 11.633 2.604 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.508 2.890 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 12.337 4.075 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.527 2.753 7.292 1.00 0.00 H new ATOM 1392 N ASN B 42 4.733 0.838 5.689 1.00 0.00 N ATOM 1393 CA ASN B 42 3.536 0.374 6.378 1.00 0.00 C ATOM 1394 C ASN B 42 2.752 -0.600 5.494 1.00 0.00 C ATOM 1395 O ASN B 42 2.238 -1.587 6.016 1.00 0.00 O ATOM 1396 CB ASN B 42 2.662 1.556 6.823 1.00 0.00 C ATOM 1397 CG ASN B 42 3.151 2.171 8.120 1.00 0.00 C ATOM 1398 OD1 ASN B 42 2.796 1.708 9.198 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.008 3.177 8.084 1.00 0.00 N ATOM 0 H ASN B 42 4.732 1.836 5.480 1.00 0.00 H new ATOM 0 HA ASN B 42 3.843 -0.160 7.277 1.00 0.00 H new ATOM 0 HB2 ASN B 42 2.656 2.316 6.042 1.00 0.00 H new ATOM 0 HB3 ASN B 42 1.633 1.219 6.948 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.373 3.567 8.953 1.00 0.00 H new ATOM 0 HD22 ASN B 42 4.304 3.563 7.187 1.00 0.00 H new ATOM 1406 N ILE B 43 2.656 -0.357 4.177 1.00 0.00 N ATOM 1407 CA ILE B 43 1.932 -1.235 3.248 1.00 0.00 C ATOM 1408 C ILE B 43 2.561 -2.621 3.290 1.00 0.00 C ATOM 1409 O ILE B 43 1.905 -3.597 3.642 1.00 0.00 O ATOM 1410 CB ILE B 43 1.897 -0.694 1.789 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.316 0.733 1.758 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.083 -1.649 0.894 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.223 1.386 0.380 1.00 0.00 C ATOM 0 H ILE B 43 3.079 0.455 3.727 1.00 0.00 H new ATOM 0 HA ILE B 43 0.893 -1.276 3.574 1.00 0.00 H new ATOM 0 HB ILE B 43 2.914 -0.647 1.401 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.318 0.707 2.195 1.00 0.00 H new ATOM 0 HG13 ILE B 43 1.928 1.368 2.399 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.063 -1.264 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.546 -2.636 0.900 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.064 -1.724 1.274 1.00 0.00 H new ATOM 0 HD11 ILE B 43 0.801 2.386 0.479 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.219 1.454 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.583 0.784 -0.265 1.00 0.00 H new ATOM 1425 N LEU B 44 3.842 -2.689 2.932 1.00 0.00 N ATOM 1426 CA LEU B 44 4.636 -3.903 2.873 1.00 0.00 C ATOM 1427 C LEU B 44 4.559 -4.700 4.169 1.00 0.00 C ATOM 1428 O LEU B 44 4.302 -5.897 4.129 1.00 0.00 O ATOM 1429 CB LEU B 44 6.085 -3.526 2.534 1.00 0.00 C ATOM 1430 CG LEU B 44 6.254 -2.978 1.104 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.603 -2.272 0.947 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.144 -4.101 0.071 1.00 0.00 C ATOM 0 H LEU B 44 4.373 -1.860 2.664 1.00 0.00 H new ATOM 0 HA LEU B 44 4.234 -4.551 2.095 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.434 -2.778 3.246 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.720 -4.404 2.657 1.00 0.00 H new ATOM 0 HG LEU B 44 5.453 -2.259 0.932 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.699 -1.894 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU B 44 7.663 -1.441 1.650 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.409 -2.978 1.150 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.267 -3.688 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.921 -4.842 0.255 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.165 -4.574 0.151 1.00 0.00 H new ATOM 1444 N ARG B 45 4.733 -4.057 5.319 1.00 0.00 N ATOM 1445 CA ARG B 45 4.689 -4.735 6.611 1.00 0.00 C ATOM 1446 C ARG B 45 3.374 -5.452 6.902 1.00 0.00 C ATOM 1447 O ARG B 45 3.385 -6.416 7.665 1.00 0.00 O ATOM 1448 CB ARG B 45 5.012 -3.681 7.666 1.00 0.00 C ATOM 1449 CG ARG B 45 5.044 -4.186 9.111 1.00 0.00 C ATOM 1450 CD ARG B 45 5.748 -3.095 9.914 1.00 0.00 C ATOM 1451 NE ARG B 45 5.779 -3.345 11.355 1.00 0.00 N ATOM 1452 CZ ARG B 45 5.891 -2.379 12.274 1.00 0.00 C ATOM 1453 NH1 ARG B 45 5.648 -1.110 11.972 1.00 0.00 N ATOM 1454 NH2 ARG B 45 6.260 -2.688 13.506 1.00 0.00 N ATOM 0 H ARG B 45 4.908 -3.054 5.382 1.00 0.00 H new ATOM 0 HA ARG B 45 5.420 -5.543 6.614 1.00 0.00 H new ATOM 0 HB2 ARG B 45 5.981 -3.242 7.431 1.00 0.00 H new ATOM 0 HB3 ARG B 45 4.274 -2.882 7.595 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.036 -4.360 9.487 1.00 0.00 H new ATOM 0 HG3 ARG B 45 5.579 -5.133 9.183 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.771 -2.993 9.551 1.00 0.00 H new ATOM 0 HD3 ARG B 45 5.249 -2.144 9.731 1.00 0.00 H new ATOM 0 HE ARG B 45 5.711 -4.310 11.677 1.00 0.00 H new ATOM 0 HH11 ARG B 45 5.370 -0.856 11.024 1.00 0.00 H new ATOM 0 HH12 ARG B 45 5.739 -0.389 12.688 1.00 0.00 H new ATOM 0 HH21 ARG B 45 6.457 -3.658 13.751 1.00 0.00 H new ATOM 0 HH22 ARG B 45 6.347 -1.956 14.211 1.00 0.00 H new ATOM 1468 N GLU B 46 2.265 -5.029 6.301 1.00 0.00 N ATOM 1469 CA GLU B 46 0.965 -5.638 6.530 1.00 0.00 C ATOM 1470 C GLU B 46 0.558 -6.535 5.355 1.00 0.00 C ATOM 1471 O GLU B 46 0.308 -7.723 5.559 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.049 -4.524 6.840 1.00 0.00 C ATOM 1473 CG GLU B 46 0.148 -3.958 8.266 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.815 -4.581 9.277 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -2.030 -4.286 9.227 1.00 0.00 O ATOM 1476 OE2 GLU B 46 -0.409 -5.404 10.127 1.00 0.00 O ATOM 0 H GLU B 46 2.246 -4.252 5.640 1.00 0.00 H new ATOM 0 HA GLU B 46 1.001 -6.304 7.392 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.057 -3.721 6.111 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.062 -4.914 6.739 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.174 -4.138 8.587 1.00 0.00 H new ATOM 0 HG3 GLU B 46 0.004 -2.878 8.249 1.00 0.00 H new ATOM 1483 N PHE B 47 0.523 -6.002 4.131 1.00 0.00 N ATOM 1484 CA PHE B 47 0.128 -6.725 2.920 1.00 0.00 C ATOM 1485 C PHE B 47 1.171 -7.719 2.408 1.00 0.00 C ATOM 1486 O PHE B 47 0.820 -8.636 1.666 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.211 -5.718 1.806 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.534 -5.017 2.039 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.628 -3.965 2.976 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.699 -5.496 1.404 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.885 -3.443 3.315 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -3.948 -4.957 1.744 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.037 -3.947 2.704 1.00 0.00 C ATOM 0 H PHE B 47 0.775 -5.030 3.950 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.744 -7.318 3.196 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.583 -4.975 1.739 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.243 -6.238 0.848 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.734 -3.563 3.431 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.629 -6.275 0.659 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.963 -2.653 4.047 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.843 -5.324 1.263 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.004 -3.552 2.977 1.00 0.00 H new ATOM 1503 N SER B 48 2.436 -7.555 2.785 1.00 0.00 N ATOM 1504 CA SER B 48 3.563 -8.393 2.389 1.00 0.00 C ATOM 1505 C SER B 48 4.238 -8.970 3.652 1.00 0.00 C ATOM 1506 O SER B 48 5.402 -9.379 3.625 1.00 0.00 O ATOM 1507 CB SER B 48 4.485 -7.520 1.514 1.00 0.00 C ATOM 1508 OG SER B 48 5.269 -8.259 0.606 1.00 0.00 O ATOM 0 H SER B 48 2.716 -6.796 3.406 1.00 0.00 H new ATOM 0 HA SER B 48 3.266 -9.260 1.799 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.876 -6.807 0.958 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.143 -6.940 2.161 1.00 0.00 H new ATOM 0 HG SER B 48 5.828 -7.647 0.083 1.00 0.00 H new